2-[2,6-bis(azanyl)hexanoyl]-5-tert-butyl-3-(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 2-[2,6-bis(azanyl)hexanoyl]-5-tert-butyl-3-(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: 3-(1-benzyloxycarbonyl-3-phenyl-propyl)-5-tert-butyl-2-(2,6-diaminohexanoyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-tert-butyl-2-(2,6-diamino-1-oxohexyl)-3-(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 5-tert-butyl-2-(2,6-diaminohexanoyl)-3-(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-tert-butyl-3-(1-carbobenzoxy-3-phenyl-propyl)-2-(2,6-diaminohexanoyl)-1,3,4-thiadiazole-2-carboxylate Formula: C30H39N4O5S- MolecularWeight: 567.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(S1)(C(=O)C(CCCCN)N)C(=O)[O-])C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(S1)(C(=O)C(CCCCN)N)C(=O)[O-])C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H40N4O5S/c1-29(2,3)27-33-34(30(40-27,28(37)38)25(35)23(32)16-10-11-19-31)24(18-17-21-12-6-4-7-13-21)26(36)39-20-22-14-8-5-9-15-22/h4-9,12-15,23-24H,10-11,16-20,31-32H2,1-3H3,(H,37,38)/p-1